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Revision as of 16:26, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 442490963 of page 1,4-Benzodioxine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 16:26, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 472056140 of page 1,4-Benzoquinone for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{chembox
| Verifiedfields = changed
| Watchedfields = changed | Watchedfields = changed
| verifiedrevid = 414707259 | verifiedrevid = 456367074
| ImageFile = 1,4-Benzodioxine.svg | ImageFileL1 = P-Benzochinon.svg
| ImageSizeL1 = 60px
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageNameL1 = Skeletal formula
| ImageSize = 121
| ImageFileR1 = 1,4-benzoquinone-3D-vdW.png
| ImageName = Kekulé, skeletal formula of 1,4-benzodioxine
| ImageSizeR1 = 125px
| SystematicName = 1,4-Benzodioxine<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=136071&loc=ec_rcs|title = 1,4-Benzodioxin - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|at = Descriptors Computed from Structure}}</ref>
| ImageNameR1 = Space-filling model
| IUPACName = Cyclohexa-2,5-diene-1,4-dione
| OtherNames = ''p''-benzoquinone; ''p''-quinone
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| CASNo = <!-- blanked - oldvalue: 255-37-8 -->
| ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | PubChem = 136071
| ChEBI = 16509
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}
| ChemSpiderID = 119848 | ChemSpiderID = 4489
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 3T006GV98U
| SMILES = O1C=COc2ccccc12
| KEGG_Ref = {{keggcite|correct|kegg}}
⚫ | SMILES1 = O1C=COC2=CC=CC=C12
| KEGG = C00472
⚫ | StdInChI = 1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
⚫ | InChI = 1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = AZQWKYJCGOJGHM-UHFFFAOYAR
⚫ | InChI = 1/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
⚫ | SMILES1 = C1=CC(=O)C=CC1=O
⚫ | StdInChIKey = HPARLNRMYDSBNO-UHFFFAOYSA-N
| ChEMBL_Ref = {{ebicite|changed|EBI}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| ChEMBL = 8320
| InChIKey = HPARLNRMYDSBNO-UHFFFAOYAC
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ }}
⚫ | StdInChI = 1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = AZQWKYJCGOJGHM-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 106-51-4
⚫ | PubChem =
| SMILES = O=C\1\C=C/C(=O)/C=C/1
| RTECS = DK2625000
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 8 | C=6|H=4|O=2
| H = 6 | Appearance = Yellow solid
⚫ | Density = 1.318 g/cm<sup>3</sup> at 20 °C
| O = 2
| MeltingPtC = 115
| ExactMass = 134.036779436 g mol<sup>-1</sup>
| BoilingPt = Sublimes
⚫ | Density = 1.201 g cm<sup>-3</sup>
| Solubility = Slightly soluble
| BoilingPtK = 466
| SolubleOther = Slightly soluble in petroleum ether; soluble in acetone; very soluble in ethanol, benzene, diethyl ether
| LogP = 1.00
⚫ }}
| VaporPressure = 183 Pa
⚫ | Section7 = {{Chembox Hazards
⚫ }}
| MainHazards = Toxic
⚫ | Section3 = {{Chembox Hazards
| FlashPt = 63 | FlashPt =
| Autoignition =
⚫ }}
| RPhrases = {{R23/25}} {{R36/37/38}} {{R50}}
| SPhrases = {{S26}} {{S28}} {{S45}} {{S61}}
⚫ }}
| Section8 = {{Chembox Related
| Function = Ketone
| OtherCpds = ]
}}
}} }}

Revision as of 16:26, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 472056140 of page 1,4-Benzoquinone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula
Skeletal formula
Space-filling model
Space-filling model
Names
IUPAC name Cyclohexa-2,5-diene-1,4-dione
Other names p-benzoquinone; p-quinone
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
KEGG
RTECS number
  • DK2625000
UNII
InChI
  • InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4HKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
  • InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4HKey: AZQWKYJCGOJGHM-UHFFFAOYAR
SMILES
  • O=C\1\C=C/C(=O)/C=C/1
  • C1=CC(=O)C=CC1=O
Properties
Chemical formula C6H4O2
Molar mass 108.096 g·mol
Appearance Yellow solid
Density 1.318 g/cm at 20 °C
Melting point 115 °C (239 °F; 388 K)
Boiling point Sublimes
Solubility in water Slightly soluble
Solubility Slightly soluble in petroleum ether; soluble in acetone; very soluble in ethanol, benzene, diethyl ether
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Toxic
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound